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Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning,…

Machine Learning · Computer Science 2024-12-24 Chandan K Reddy , Parshin Shojaee

Generative AI models, including large language models and multimodal models that include text and other media, are on the cusp of transforming many aspects of modern life, including entertainment, education, civic life, the arts, and a…

Computers and Society · Computer Science 2023-04-05 Meredith Ringel Morris

The integration of artificial intelligence (AI) into science education is transforming the design and function of learning materials, offering new affordances for personalization, authenticity, and accessibility. This chapter examines how…

Computers and Society · Computer Science 2026-02-25 Xiaoming Zhai , Kent Crippen

Generative Artificial Intelligence (Generative AI) holds significant promise in reshaping interactive systems design, yet its potential across the four key phases of human-centered design remains underexplored. This article addresses this…

Human-Computer Interaction · Computer Science 2024-11-06 Marie Muehlhaus , Jürgen Steimle

Artificial intelligence (AI) is reshaping inverse design in manufacturing, enabling high-performance discovery in materials, products, and processes. However, purely data-driven approaches often struggle in realistic manufacturing settings…

Artificial Intelligence · Computer Science 2025-08-26 Hugon Lee , Hyeonbin Moon , Junhyeong Lee , Seunghwa RYu

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…

Since decades, the modelling of metadata has been core to the functioning of any academic library. Its importance has only enhanced with the increasing pervasiveness of Generative Artificial Intelligence (AI)-driven information activities…

Digital Libraries · Computer Science 2025-03-18 Mayukh Bagchi

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Artificial intelligence (AI) is transforming materials science, enabling both theoretical advancements and accelerated materials discovery. Recent progress in crystal generation models, which design crystal structures for targeted…

Materials Science · Physics 2025-02-25 Zhuoyuan Li , Siyu Liu , Beilin Ye , David J. Srolovitz , Tongqi Wen

With the continuous advancement of technology, artificial intelligence has significantly impacted various fields, particularly healthcare. Generative models, a key AI technology, have revolutionized medical image generation, data analysis,…

Machine Learning · Computer Science 2024-10-10 Yuan Sun , Jorge Ortiz

High-throughput data generation methods and machine learning (ML) algorithms have given rise to a new era of computational materials science by learning relationships among composition, structure, and properties and by exploiting such…

Accelerated discovery with machine learning (ML) has begun to provide the advances in efficiency needed to overcome the combinatorial challenge of computational materials design. Nevertheless, ML-accelerated discovery both inherits the…

Materials Science · Physics 2022-05-09 Chenru Duan , Fang Liu , Aditya Nandy , Heather J. Kulik

Generative methods (Gen-AI) are reviewed with a particular goal of solving tasks in machine learning and Bayesian inference. Generative models require one to simulate a large training dataset and to use deep neural networks to solve a…

Computation · Statistics 2025-05-20 Maria Nareklishvili , Nick Polson , Vadim Sokolov

Generative Artificial Intelligence (GenAI) has demonstrated its capabilities in the present world that reduce human effort significantly. It utilizes deep learning techniques to create original and realistic content in terms of text,…

Artificial Intelligence · Computer Science 2025-12-11 Aman Kumar , Deepak Narayan Gadde

This study provides a comprehensive analysis of the development, functioning, and application of generative artificial intelligence (GenAI) and large language models (LLMs), with an emphasis on their implications for research and education.…

Computers and Society · Computer Science 2025-08-27 Jussi S. Jauhiainen , Aurora Toppari

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

Artificial intelligence (AI) has been transforming the practice of drug discovery in the past decade. Various AI techniques have been used in a wide range of applications, such as virtual screening and drug design. In this survey, we first…

Machine Learning · Computer Science 2021-11-03 Jianyuan Deng , Zhibo Yang , Iwao Ojima , Dimitris Samaras , Fusheng Wang

Successful materials innovations can transform society. However, materials research often involves long timelines and low success probabilities, dissuading investors who have expectations of shorter times from bench to business. A…

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